8008-2529 Screening compound: (E)-4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](4-methoxyphenethyl)amino]-4-oxo-2-butenoic acid

8008-2529 Screening compound: (E)-4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](4-methoxyphenethyl)amino]-4-oxo-2-butenoic acid
8008-2529 Screening compound: (E)-4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](4-methoxyphenethyl)amino]-4-oxo-2-butenoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2529
(E)-4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](4-methoxyphenethyl)amino]-4-oxo-2-butenoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8008-2529

Molecular Formula

C23H21FN2O6 (C23 H21 FN2 O6)

Compound Name

(E)-4-[[1-(4-fluorophenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl](4-methoxyphenethyl)amino]-4-oxo-2-butenoic acid

IUPAC name

(2E)-3-{[1-(4-fluorophenyl)-25-dioxopyrrolidin-3-yl][2-(4-methoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid

SMILES

COc1ccc(CCN(C(CC(N2c(cc3)ccc3F)=O)C2=O)C(/C=C/C(O)=O)=O)cc1

InChI

InChI=1S/C23H21FN2O6/c1-32-18-8-2-15(3-9-18)12-13-25(20(27)10-11-22(29)30)19-14-21(28)26(23(19)31)17-6-4-16(24)5-7-17/h2-11,19H,12-14H2,1H3,(H,29,30)/t19-/m1/s1

InChI Key

UAKISVCGHUHSEG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01239975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.711

Distribution Coefficient, logD

-2.133

Water Solubility, LogSw

-2.02

Polar Surface Area

79.537

Acid Dissociation Constant (pKa)

3.56

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

8008-2529 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-2529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2529?
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What is the minimum amount of 8008-2529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2529
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8008-2529 available by request